- InChI
- InChI=1S/C24H34O4/c1-15-8-10-21(12-17(15)3)27-23(25)19-6-5-7-20(14-19)24(26)28-22-11-9-16(2)18(4)13-22/h5-7,14-18,21-22H,8-13H2,1-4H3
- InChI Key
- KUNRZTCFBZTQPL-UHFFFAOYSA-N
- Formula
- C24H34O4
- SMILES
-
CC1CCC(OC(=O)c2cccc(C(=O)OC3CC
C(C)C(C)C3)c2)CC1C - Molecular Weight1
- 386.53
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -902.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.650 | Crippen Calculated Property | |
| McVol | 318.420 | ml/mol | McGowan Calculated Property |
| Pc | 1174.44 | kPa | Joback Calculated Property |
| Inp | [3090.00; 3090.00] |
|
|
| Inp | 3090.00 | NIST | |
| Inp | 3090.00 | NIST | |
| Tboil | 683.42 | K | Relay (1.0) Calculated Property |
| Tc | 935.35 | K | Relay (1.0) Calculated Property |
| Tfus | 341.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1111.90; 1188.29] | J/mol×K | [917.24; 1148.70] |
|
| Cp,gas | 1111.90 | J/mol×K | 917.24 | Joback Calculated Property |
| Cp,gas | 1130.54 | J/mol×K | 955.82 | Joback Calculated Property |
| Cp,gas | 1146.79 | J/mol×K | 994.39 | Joback Calculated Property |
| Cp,gas | 1160.66 | J/mol×K | 1032.97 | Joback Calculated Property |
| Cp,gas | 1172.19 | J/mol×K | 1071.55 | Joback Calculated Property |
| Cp,gas | 1181.39 | J/mol×K | 1110.13 | Joback Calculated Property |
| Cp,gas | 1188.29 | J/mol×K | 1148.70 | Joback Calculated Property |
| η | [0.0000752; 0.0009663] | Pa×s | [481.64; 917.24] |
|
| η | 0.0009663 | Pa×s | 481.64 | Joback Calculated Property |
| η | 0.0004778 | Pa×s | 554.24 | Joback Calculated Property |
| η | 0.0002781 | Pa×s | 626.84 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 699.44 | Joback Calculated Property |
| η | 0.0001279 | Pa×s | 772.04 | Joback Calculated Property |
| η | 0.0000958 | Pa×s | 844.64 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 917.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(3,4-dimethylcyclohexyl) ester.
Sources
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